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Volumn 100, Issue 4, 1996, Pages 1111-1117

Solvent effect on acidity: A hybrid approach based on the RISM and the hartree-fock equations

Author keywords

[No Author keywords available]

Indexed keywords


EID: 33751131853     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp952102v     Document Type: Article
Times cited : (48)

References (46)
  • 35
    • 0003568278 scopus 로고
    • Shaefer, HI, H. F., Ed.; Plenum Press: New York
    • Dunning, Jr., T. H.; Hay, P. J. In Modem Theoretical Chemistry; Shaefer, HI, H. F., Ed.; Plenum Press: New York, 1977; Vol. 3.
    • (1977) Modem Theoretical Chemistry , pp. 3
    • Dunning, Jr.1    Hay, P.J.2
  • 39
    • 85033039147 scopus 로고    scopus 로고
    • The van der Waals parameters of a = 1.0 A and e = 0.0545 kcal/ mol are assigned to the H site.
    • The van der Waals parameters of a = 1.0 A and e = 0.0545 kcal/ mol are assigned to the H site.
  • 45
    • 85033061405 scopus 로고    scopus 로고
    • ffay = CTOOL + ffnO/2, fay = (faafjr)"2-
    • ffay = (CTOOL + ffnO/2, fay = (faafjr)"2-
  • 46
    • 85033060773 scopus 로고    scopus 로고
    • Private communication.
    • Rained, F. Private communication.
    • Rained, F.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.